============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 3 0.900 11.383 10.776 105.126 -99.200 -91.000 TYR 7 0.840 19.266 19.482 95.335 -99.200 -91.000 PHE 22 1.000 24.321 28.049 89.857 -99.200 -91.000 HIS 27 0.900 11.499 24.109 98.485 -99.200 -91.000 PHE 33 1.000 18.226 21.208 101.544 -99.200 -91.000 TYR 36 0.840 24.429 29.669 93.879 -99.200 -91.000 TRP 49 1.040 16.078 20.328 110.719 -99.200 -91.000 TRP6 49 1.020 16.978 19.570 108.672 -99.200 -91.000 TRP 59 1.040 25.323 24.596 104.741 -99.200 -91.000 TRP6 59 1.020 23.178 24.154 103.850 -99.200 -91.000 HIS 79 0.900 25.452 24.871 72.639 -99.200 -91.000 HIS 82 0.900 14.171 34.302 74.956 -99.200 -91.000 HIS 93 0.900 7.731 6.462 96.743 -99.200 -91.000 HIS 103 0.900 9.592 16.329 86.132 -99.200 -91.000 PHE 104 1.000 16.039 19.428 81.885 -99.200 -91.000 TYR 105 0.840 8.735 22.906 84.517 -99.200 -91.000 TYR 106 0.840 13.204 28.513 75.974 -99.200 -91.000 PHE 111 1.000 12.572 21.844 77.365 -99.200 -91.000 PHE 139 1.000 25.154 21.652 74.397 -99.200 -91.000 TRP 140 1.040 21.989 18.140 77.251 -99.200 -91.000 TRP6 140 1.020 19.895 17.581 78.190 -99.200 -91.000 HIS 148 0.900 25.279 13.695 83.289 -99.200 -91.000 TYR 149 0.840 19.854 11.138 81.352 -99.200 -91.000 TYR 163 0.840 21.197 16.976 102.673 -99.200 -91.000